Molecule

ID:8552

General Information
Structure
MolImage
Molecular Formula
C₁₅H₃₀N₂
Molecular Mass
238.4121
Exact Mass
238.24089897
Charge
0
InChI
InChI=1S/C15H30N2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h17H,2-12,14-15H2,1H3
InChIKey
DKRQDOPNZFOLQD-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCNCCC#N
Isomeric Smiles
C(CCCNCCC#N)CCCCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8724202
LogD (pH = 7.4)
3.6017008
Log P
4.4605145
Molar Refractivity
75.1383
Polarizability
29.760616
Polar Surface Area
35.82
Rotatable Bonds
13
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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